⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27382350 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL26104582 | 0.82 | KCNN4 (0.34) | — | |
| SCHEMBL2102896 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL16045497 | 0.78 | MEN1 (0.46) | — | |
| SCHEMBL3062956 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL2325636 | 0.72 | — | — | |
| SCHEMBL548963 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL8582776 | 0.70 | — | — | |
| SCHEMBL11475136 | 0.69 | CYP4F2 (0.38) | — | |
| SCHEMBL724527 | 0.68 | FFAR3 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1111524-C | Preparation pyridine-2, the method for 3-dicarboxylate compounds and intermediate | AMERICAN CYANAMID CO (US) | 2003-06-18 | — | — | CN | disclosed |
| CN-1239093-A | Process for intermediates for manufacture of pyridine-2,3-dicarboxylate compounds | AMERICAN CYANAMID CO (US) | 1999-12-22 | — | — | CN | disclosed |
| US-5322948-A | Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative | HOECHST CELANESE CORPORATION (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0511446-A2 | Process for preparing pyridinecarboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1992-11-04 | — | — | EP | disclosed |
| CN-1058205-A | The method for preparing pyridine and quinoline | HOECHST CELANESE CORP (US) | 1992-01-29 | — | — | CN | disclosed |
| CN-1056492-A | The preparation method of pyridine carboxylic acid derivatives | HOECHST CELANESE CORP (US) | 1991-11-27 | — | — | CN | disclosed |
| EP-0456504-A2 | Process for preparing pyridinecarboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1991-11-13 | — | — | EP | disclosed |
| US-5047542-A | Reaction of ketoester with unsaturated aldehyde or ketone | HOECHST CELANESE CORPORATION (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0415767-A2 | Process for preparing pyridine carboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1991-03-06 | — | — | EP | disclosed |
| US-4871859-A | REACTING KETOESTER WITH UNSATURATED ALDEHYDE OR KETONE AND AMMONIUM SALT IN SOLVENT AND DEHYDROGENATION CATALYST | HOECHST CELANESE CORPORATION | 1989-10-03 | — | — | US | disclosed |
| WO-1989008103-A1 | PROCESS FOR PREPARING PYRIDINE CARBOXYLIC ACID ESTERS | HOECHST CELANESE CORPORATION (US) | 1989-09-08 | — | — | WO | disclosed |